2013
DOI: 10.1002/ceat.201300147
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Solvent Effect on Crystal Structure of Tetracycline Hydrochloride

Abstract: The crystal structure of tetracycline hydrochloride was simulated by BravaisFriedel-Donnay-Harker (BFDH) and modified attachment energy (AE) models, based on the single-crystal data obtained by Material Studio software. A comparison to the scanning electron microscopy image of tetracycline hydrochloride indicated that the AE model was superior to the BFDH model. The morphology predicted by the AE model was further improved by taking account of the interaction effect between the growing faces and the solvent mo… Show more

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Cited by 4 publications
(3 citation statements)
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“…Moreover, the attachment energies of SFDBA crystal faces calculated by Materials Studio further confirm that the most thermodynamically stable crystal faces are {100} due to the lowest attachment energy (Table S4). [28] X-ray powder diffraction (XRD) patterns of SFDBA microcrystals in Figure 2h are completely in conformity with the SFDBA single crystals, and the strong {100} peaks parallel to the substrate represent the layer-by-layer structure of SFDBA microcrystals.…”
Section: Resultsmentioning
confidence: 63%
“…Moreover, the attachment energies of SFDBA crystal faces calculated by Materials Studio further confirm that the most thermodynamically stable crystal faces are {100} due to the lowest attachment energy (Table S4). [28] X-ray powder diffraction (XRD) patterns of SFDBA microcrystals in Figure 2h are completely in conformity with the SFDBA single crystals, and the strong {100} peaks parallel to the substrate represent the layer-by-layer structure of SFDBA microcrystals.…”
Section: Resultsmentioning
confidence: 63%
“…Moreover, the attachment energies of SFDBA crystal faces calculated by Materials Studio further confirm that the most thermodynamically stable crystal faces are {100} due to the lowest attachment energy (Table S4). [ 32 ] X‐ray powder diffraction (XRD) patterns of SFDBA microcrystals in Figure 2h are completely in conformity with the SFDBA single crystals, and the strong {100} peaks parallel to the substrate represent the layer‐by‐layer structure of SFDBA microcrystals.…”
Section: Resultsmentioning
confidence: 76%
“…The crystal structure of L-arabinose was optimized by forcitemoduleswith "Fine" quality [31]. The simulation was conducted under such conditions: electronic charges were computed by "compass method" , and both the summation methods with a quality of "medium" were set to "Ewald".…”
Section: Morphology Prediction By Msmentioning
confidence: 99%